UCSF

ZINC42737524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.39 1 -48.16 4 5 1 77 230.332 5
Hi High (pH 8-9.5) -0.21 1.05 -56.09 3 5 0 83 229.324 5
Hi High (pH 8-9.5) -0.39 0.61 -5.49 3 5 0 75 229.324 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )